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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Calculated electric dipole moment of NiH X2Delta

A calculated dipole moment of 2.39 D at R sub e = 2.79 a sub 0 is reported, obtained from complete active space SCF/configuration interaction calculations plus one natural orbital iteration. The calculation is in good agreement with the experimental value of 2.4 + or - 0.1 D measured for the lowest vibrational level. In agreement with Gray et al. (1985), it is found that the dipole moment is strongly correlated with the 3d electron population; the good agreement with experiment thus provides verification of the mixed state model of NiH. It is concluded that the electric dipole moment of NiH is a sensitive test of the quality of the NiH wave function.

Walch, S.↗
NASA NTRS1985

Theory and calculation of resonances and autoionization of two-electron atoms and ions

Techniques for calculating the electron scattering from one-electron hydrogen-like targets on the basis of the Feshback formalism, are discussed. The principal similarities between resonance parameters in the Feshbach formalism and the corresponding Breit-Wigner quantities, are described in detail. Special attention is devoted to a description of the Fano line shape parameter q, and a technique for formulating it in terms of a projector operator is proposed. The theoretical methods are illustrated by numerical calculations for 1S, 3P, and 1D states of H(-) below the first excited threshold of the target atom. Calculations of 1,3S 1,3P, 1,3D states for He are also presented.

Temkin, A.↗
NASA NTRS1986

Calculated ground state potential surface and excitation energies for the copper trimer

In the context of their relevance to catalysis and to materials science problems, transition metals and transition metal (TM) compounds are currently of considerable interest, and studies have been conducted of the copper trimer, Cu3. The present investigation is concerned with a study of the ground state surface and several groups of excited states in order to improve the understanding of the spectroscopy of Cu3. Differences of the current study from previous investigations are related to an employment of larger basis sets and a more extensive electron correlation. This was done with the objective to obtain a more accurate definition of the ground state surface. Features of the bonding in the copper dimer are considered to obtain a basis for an understanding of the copper trimer. Attention is given to calculational details, the ground state surface, and calculated vertical excitation energies. The results of SCF/SDCI calculations are reported for portions of the ground surface, for two groups of excited states, and for the ionization potential of Cu3.

Walch, S. P.↗
NASA NTRS1986

Analytic method for calculating properties of random walks on networks

A method for calculating the properties of discrete random walks on networks is presented. The method divides complex networks into simpler units whose contribution to the mean first-passage time is calculated. The simplified network is then further iterated. The method is demonstrated by calculating mean first-passage times on a segment, a segment with a single dangling bond, a segment with many dangling bonds, and a looplike structure. The results are analyzed and related to the applicability of the Einstein relation between conductance and diffusion.

Goldhirsch, I.↗
NASA NTRS1986

Calculation of convective heating on proposed aeroassist flight experiment vehicle

Convective heating calculations of a NASA aeroassist flight experiment (AFE) configuration consisting of a blunted, elliptic cone raked off at the base, and fitted with a skirt-type afterbody with a generous corner radius, are presented. The HALIS inviscid flowfield code is used to supply edge properties to an approximate three-dimensional boundary-layer method to calculate the surface heating. Calculations at Mach number 9.86 and approximate Reynolds number of 500,000, for angles of attack from -10 to 10 degrees, are in general good agreement with Langley 31-inch Mach 10 Tunnel experimental data. The results validate the application of the present overall AFE configuration heating pattern heating contours to aeroassist orbital transfer vehicle heating distribution determinations.

Hamilton, H. H., II↗
NASA NTRS1986

Calculated potential surfaces for the reactions: O + N2 yields NO + N and N + O2 yields NO + O

Complete Active Space SCF/Contracted CI (CASSCF/CCI) calculations, using large Gaussian basis sets, are presented for selected portions of the potential surfaces for the reactions in the Zeldovich mechanism for the conversion of N2 to NO. The N + O2 reaction is exoergic by 32 kcal/mole and is computed to have an early barrier of 10.2 kcal/mole for the (sup 2)A(sup prime) surface and 18.0 kcal/mole for the (sup 4)A(sup prime) surface. The O + N2 reaction is endoergic by 75 kcal/mole. The (sup 3)A(sup double prime) surface is calculated to have a late barrier of 0.5 kcal/mole, while the (sup 3)A(sup prime) surface is calculated to have a late barrier of 14.4 kcal/mole.

Walch, Stephen P.↗
NASA NTRS1986

Calculated performance, stability and maneuverability of high-speed tilting-prop-rotor aircraft

The feasibility of operating tilting-prop-rotor aircraft at high speeds is examined by calculating the performance, stability, and maneuverability of representative configurations. The rotor performance is examined in high-speed cruise and in hover. The whirl-flutter stability of the coupled-wing and rotor motion is calculated in the cruise mode. Maneuverability is examined in terms of the rotor-thrust limit during turns in helicopter configuration. Rotor airfoils, rotor-hub configuration, wing airfoil, and airframe structural weights representing demonstrated advance technology are discussed. Key rotor and airframe parameters are optimized for high-speed performance and stability. The basic aircraft-design parameters are optimized for minimum gross weight. To provide a focus for the calculations, two high-speed tilt-rotor aircraft are considered: a 46-passenger, civil transport and an air-combat/escort fighter, both with design speeds of about 400 knots. It is concluded that such high-speed tilt-rotor aircraft are quite practical.

Johnson, Wayne↗
NASA NTRS1986

Explicit finite-volume time-marching calculations of total temperature distributions in turbulent flow

A method was developed which calculates two-dimensional, transonic, viscous flow in ducts. The finite volume, time-marching formulation is used to obtain steady flow solutions of the Reynolds-averaged form of the Navier-Stokes equations. The entire calculation is performed in the physical domain. This paper investigates the introduction of a new formulation of the energy equation which gives improved transient behavior as the calculation converges. The effect of variable Prandtl number on the temperature distribution through the boundary layer is also investigated. A turbulent boundary layer in an adverse pressure gradient (M = 0.55) is used to demonstrate the improved transient temperature distribution obtained when the new formulation of the energy equation is used. A flat plate turbulent boundary layer with a supersonic free-stream Mach number of 2.8 is used to investigate the effect of Prandtl number on the distribution of properties through the boundary layer. The computed total temperature distribution and recovery factor agree well with the measurements when a variable Prandtl number is used through the boundary layer.

Nicholson, Stephen↗
NASA NTRS1987

Calculations of inlet distortion induced compressor flowfield instability

Calculations are presented predicting the onset of flow instability for a multistage low speed axial compressor operating in circumferentially distorted inlet flow. The most important feature of the model used is that it attempts to properly account for the fluid dynamic interaction between the spoiled and unspoiled sectors of the compressor. The calculations show that there is an approximate stability criterion, the annulus averaged slope of the compressor pressure rise characteristic equal to zero, that is valid whenever the dynamics of the compressor distorted flowfield can be considered independent of the compressor environment. This approximate criterion is used to investigate the relationship between the present model and the parallel compressor model. Further calculations are performed to investigate cases of interest when the dynamics of the flowfield are coupled to the environment. Resonant cases and cases when the distortion is unsteady are studied. In particular, it is shown that rotating distortions which propagate in the rotor direction can have a greater effect on stability margin than stationary or counter-rotational ones. Finally, it is shown that the general predictions of the model are insensitive to the details of the unsteady bladerow dynamics.

Hynes, T. P.↗
NASA NTRS1987

Calculations of the displacement damage and short-circuit current degradation in proton irradiated (AlGa)As-GaAs solar cells

A theoretical model for computing the displacement damage defect density and the short-circuit current (I sub sc) degradation in proton-irradiated (AlGa)As-GaAs p-n junction solar cells is presented. Assumptions were made with justification that the radiation induced displacement defects form an effective recombination center which controls the electron and hole lifetimes in the junction space charge region and in the n-GaAs active layer of the irradiated GaAs p-n junction cells. The degradation of I sub sc in the (AlGa)As layer was found to be negligible compared to the total degradation. In order to determine the I sub sc degradation, the displacement defect density, path length, range, reduced energy after penetrating a distance x, and the average number of displacements formed by one proton scattering event were first calculated. The I sub sc degradation was calculated by using the electron capture cross section in the p-diffused layer and the hole capture cross section in the n-base layer as well as the wavelength dependent absorption coefficients. Excellent agreement was found between the researchers calculated values and the measured I sub sc in the proton irradiated GaAs solar cells for proton energies of 100 KeV to 10 MeV and fluences from 10 to the 10th power p/square cm to 10 to the 12th power p/square cm.

Yeh, C. S.↗
NASA NTRS1987

An improved method of Nusselt number calculation

A novel method for calculating the Nusselt number, Nu, in a steady-state Rayleigh-Benard convection problem is presented, in which calculations are done for a square box with constant temperature, free-slip boundary conditions at the top and bottom, and a reflection symmetry along the side walls. The element heat flux is obtained by averaging over the entire element; element heat fluxes are then projected to the adjacent nodes. Compared with previous methods, the approach reduces the calculated depth variation in horizontally averaged flux by more than a factor of 10 and shows more rapid convergence of Nu as a function of grid size.

Ho-Liu, Phyllis↗
NASA NTRS1987

Calculated performance, stability, and maneuverability of high speed tilting proprotor aircraft

The feasibility of operating tilting proprotor aircraft at high speeds is examined by calculating the performance, stability, and maneuverability of representative configurations. The rotor performance is examined in high speed cruise and in hover. The whirl flutter stability of the coupled wing and rotor motion is calculated in cruise. Maneuverability is examined in terms of the rotor thrust limit during turns in helicopter configuration. Rotor airfoils, rotor hub configuration, wing airfoil, and airframe structural weights representative of demonstrated advanced technology are considered. Key rotor and airframe parameters are optimized for high speed performance and stability. The basic aircraft design parameters are optimized for minimum gross weight. To provide a focus for the calculations, two high speed tiltrotor aircraft are considered: a 46-passenger civil transport and an air-combat/escort fighter, both with design speeds of about 400 knots. It is concluded that such high speed tiltrotor aircraft are quite practical.

Johnson, Wayne↗
NASA NTRS1987

Displacement surface calculations for a hypersonic aircraft

A method is presented to calculate the three-dimensional displacement surface about a hypersonic aircraft. This calculation requires a flow-field-solution to at least the thin-layer Navier-Stokes equations about the aircraft as input. An upwind, finite-volume code developed at NASA Langley Research Center was used to obtain the flow-field solution. The displacement surface is the three-dimensional counterpart to the two-dimensional displacement thickness. Flow-field solutions, along with the displacement surface calculations, are presented for a generic hypersonic aircraft at a Mach number of 24.5 and angle of attack of zero and one degree.

Richardson, Pamela F.↗
NASA NTRS1986

Calculated performance, stability, and maneuverability of high-speed tilting-prop-rotor aircraft

The feasability of operating tilting-prop-rotor aircraft at high speeds is examined by calculating the performance, stability, and maneuverability of representative configurations. The rotor performance is examined in high-speed cruise and in hover. The whirl-flutter stability of the coupled-wing and rotor motion is calculated in the cruise mode. Maneuverability is examined in terms of the rotor-thrust limit during turns in helicopter configuration. Rotor airfoils, rotor-hub configuration, wing airfoil, and airframe structural weights representing demonstrated advanced technology are discussed. Key rotor and airframe parameters are optimized for high-speed performance and stability. The basic aircraft-design parameters are optimized for minimum gross weight. To provide a focus for the calculations, two high-speed tilt-rotor aircraft are considered: a 46-passenger, civil transport and an air-combat/escort fighter, both with design speeds of about 400 knots. It is concluded that such high-speed tilt-rotor aircraft are quite practical.

Johnson, Wayne↗
NASA NTRS1987

Calculation of aerodynamic heat transfer for blunt-nosed thin wings at different angles of attack at supersonic speeds

A method for calculating aerodynamic heat transfer on thin wings at angles of attack is provided, based on the assumption of small cross flow and the calculation of an infinite cylinder. It is valid in the range of supersonic and hypersonic speeds. The method does not require calculation of the details of the stream lines and can be used for various swept wings at moderate angle of attack or yaw angle. A comparison between theoretical and experimental results is given.

Xu, Shuxuan↗
NASA NTRS1987

Comparison of flight-measured and calculated temperatures on the space shuttle orbiter

Structural temperatures and thermal protection system surface temperatures were measured on the space shuttle during the flight of STS 5. The measured data are compared with values calculated at wing stations 134, 240, and 328 and at fuselage station 877. The theoretical temperatures were calculated using the structural performance and resizing finite element thermal analysis program. The comparisons show that the calculated temperatures are, generally, in good agreement with the measured data.

Gong, Leslie↗
NASA NTRS1987

A computer code to calculate line by line atmospheric transmission spectra on a microcomputer

A computer program is described which calculates line by line atmospheric transmission spectra on a microcomputer. Radiance calculations are not included. The program is written in FORTRAN and could be modified to run on a microcomputer other than the one on which it was implemented, except that the plotting routine would have to be replaced. The program is based on the 1978 Air Force Geophysics Laboratory LASER routine, and uses absorption line data from the 1982 update of the AFGL Atmospheric Absorption Line Parameters Compilation; segments of needed line data are taken from the tape, preprocessed into the form used by the program and stored on floppy disks. The program calculates transmission spectra over a variety of paths and spanning an arbitrarily chosen wavelength or frequency range; the path may be chosen to be horizontal, vertical or slanted at any zenith angle, and may extend between any two altitudes between 0 and 15 km. Aerosol effects are included, presently based on the 1976 Shettle and Fenn models, plus some molecular continuum effects and Rayleigh scattering.

Safren, H. G.↗
NASA NTRS1988

Calculations of rate constants for the three-body recombination of H2 in the presence of H2

A new global potential energy hypersurface for H2 + H2 is constructed and quasiclassical trajectory calculations performed using the resonance complex theory and energy transfer mechanism to estimate the rate of three body recombination over the temperature range 100 to 5000 K. The new potential is a faithful representation of ab initio electron structure calculations, is unchanged under the operation of exchanging H atoms, and reproduces the accurate H3 potential as one H atom is pulled away. Included in the fitting procedure are geometries expected to be important when one H2 is near or above the dissociation limit. The dynamics calculations explicitly include the motion of all four atoms and are performed efficiently using a vectorized variable-stepsize integrator. The predicted rate constants are approximately a factor of two smaller than experimental estimates over a broad temperature range.

Schwenke, David W.↗